Physical Sciences and Mathematics Commons^™

Hydrogen-Bonding-Directed Ordered Assembly Of Carboxylated Poly(3-Alkylthiophene)S, David W. Bilger, Jose A. Figueroa, Neil D. Redeker, Amrita Sarkar, Morgan Stefik, Shanjuu Zhang

Faculty Publications

Hydrogen-bonding-induced ordered assembly of poly(3-alkylthiophene)s derivatives bearing carboxylic acid groups has been investigated from diluted and concentrated solutions to solid films using ultraviolet–visible absorption spectroscopy, polarized optical microscopy, and four-point probe conductivity measurements. In dilute solutions, the polymer undergoes a spontaneous structural transition from disordered coil-like to ordered rodlike conformations, which is evidenced by time-dependent chromism. Many factors such as alkyl-chain length, types of solvents, and temperature are studied to understand the assembly behavior. Transition kinetics of the assembly process reveals a universal second-order rate law, indicating an intermolecular origin due to hydrogen bonding. When more concentrated, hydrogen bonding drives …

Blockade Of Cb1 Cannabinoid Receptor Alters Gut Microbiota And Attenuates Inflammation And Diet-Induced Obesity, Pegah Mehrpouya-Bahrami, Kumaraswamy Naidu Chitrala, Mitra S. Ganewatta, Chuanbing Tang, E Angela Murphy, Reilly Enos, Kandy T. Velazquez, Jamie Mccellan, Mitzi Nagarkatti, Prakash Nagarkatti

Faculty Publications

Obesity is characterized by chronic low-grade, systemic inflammation, altered gut microbiota, and gut barrier disruption. Additionally, obesity is associated with increased activity of endocannabinoid system (eCB). However, the clear connection between gut microbiota and the eCB system in the regulation of energy homeostasis and adipose tissue inflammation and metabolism, remains to be established. We investigated the effect of treatment of mice with a cannabinoid receptor 1 (CB1) antagonist on Diet-Induced Obesity (DIO), specifically whether such a treatment that blocks endocannabinoid activity can induce changes in gut microbiota and anti-inflammatory state in adipose tissue. Blockade of CB1 attenuated DIO, inflammatory cytokines …

Reconstructing Yeasts Phylogenies And Ancestors From Whole Genome Data, Bing Feng, Yu Lin, Lingxi Zhou, Yan Guo, Robert Friedman, Roufan Xia, Chao Liu, Jijun Tang

Faculty Publications

Phylogenetic studies aim to discover evolutionary relationships and histories. These studies are based on similarities of morphological characters and molecular sequences. Currently, widely accepted phylogenetic approaches are based on multiple sequence alignments, which analyze shared gene datasets and concatenate/coalesce these results to a final phylogeny with maximum support. However, these approaches still have limitations, and often have conflicting results with each other. Reconstructing ancestral genomes helps us understand mechanisms and corresponding consequences of evolution. Most existing genome level phylogeny and ancestor reconstruction methods can only process simplified real genome datasets or simulated datasets with identical genome content, unique genome markers, …

Reconstructing Yeasts Phylogenies And Ancestors From Whole Genome Data, Bing Feng, Yu Ling, Lingxi Zhou, Roufan Xia, Fei Hu, Chao Liu

Faculty Publications

Phylogenetic studies aim to discover evolutionary relationships and histories. These studies are based on similarities of morphological characters and molecular sequences. Currently, widely accepted phylogenetic approaches are based on multiple sequence alignments, which analyze shared gene datasets and concatenate/coalesce these results to a final phylogeny with maximum support. However, these approaches still have limitations, and often have conflicting results with each other. Reconstructing ancestral genomes helps us understand mechanisms and corresponding consequences of evolution. Most existing genome level phylogeny and ancestor reconstruction methods can only process simplified real genome datasets or simulated datasets with identical genome content, unique genome markers, …

Why Cerenkov Radiation May Not Occur, Even When It Is Allowed By Lorentz-Violating Kinematics, Brett Altschul

Faculty Publications

In a Lorentz-violating quantum field theory, the energy-momentum relations for the field quanta are typically modified. This affects the kinematics, and processes that are normally forbidden may become allowed. One reaction that clearly becomes kinematically possible when photons’ phase speeds are less than 1 is vacuum Cerenkov radiation. However, in spite of expectations, and in defiance of phase space estimates, a electromagnetic Chern–Simons theory with a timelike Lorentz violation coefficient does not feature any energy losses through Cerenkov emission. There is an unexpected cancelation, made possible by the existence of unstable long-wavelength modes of the field. The fact that the …

Phylogeny Analysis From Gene-Order Data With Massive Duplications, Lingxi Zhou, Yu Ling, Bing Feng, Jieyi Zhao, Jijun Tang

Faculty Publications

Background: Gene order changes, under rearrangements, insertions, deletions and duplications, have been used as a new type of data source for phylogenetic reconstruction. Because these changes are rare compared to sequence mutations, they allow the inference of phylogeny further back in evolutionary time. There exist many computational methods for the reconstruction of gene-order phylogenies, including widely used maximum parsimonious methods and maximum likelihood methods. However, both methods face challenges in handling large genomes with many duplicated genes, especially in the presence of whole genome duplication.

Methods: In this paper, we present three simple yet powerful methods based on maximum-likelihood (ML) …

Improvement Of Phylogenetic Method To Analyze Compositional Heterogeneity, Zehua Zhang, Kecheng Guo, Gaofeng Pan, Jijun Tang, Fei Guo

Faculty Publications

Background: Phylogenetic analysis is a key way to understand current research in the biological processes and detect theory in evolution of natural selection. The evolutionary relationship between species is generally reflected in the form of phylogenetic trees. Many methods for constructing phylogenetic trees, are based on the optimization criteria. We extract the biological data via modeling features, and then compare these characteristics to study the biological evolution between species.

Results: Here, we use maximum likelihood and Bayesian inference method to establish phylogenetic trees; multi-chain Markov chain Monte Carlo sampling method can be used to select optimal phylogenetic tree, resolving local …

Dietary Inflammatory Index And Colorectal Cancer Risk – A Meta-Analysis, Nitin Shivappa, Justyna Godos, James R. Hébert, Michael David Wirth, Gabriele Piuri, Attilio Speciani, Giuseppe Grosso

Faculty Publications

Diet and chronic inflammation of the colon have been suggested to be risk factors in the development of colorectal cancer (CRC). The possible link between inflammatory potential of diet, measured through the Dietary Inflammatory Index (DII®), and CRC has been investigated in several populations across the world. The aim of this study was to conduct a meta-analysis on studies exploring this association. Data from nine studies were eligible, of which five were case-control and four were cohort studies. Results from meta-analysis showed a positive association between increasing DII scores, indicating a pro-inflammatory diet, and CRC. Individuals in the highest versus …

A Recent Project Shows That The Microbial Carbon Pump Is A Primary Mechanism Driving Ocean Carbon Uptake, Jing M. Chen, Louis Legendre, Ronald Benner

Faculty Publications

No abstract provided.

The Relationship Of Plasma Trans Fatty Acids With Dietary Inflammatory Index Among Us Adults, Mohsen Mazidi, Hong-Kai Gao, Nitin Shivappa, Michael David Wirth, James R. Hébert, Andre Pascal Kengne

Faculty Publications

Background: It has been suggested that trans fatty acids (TFAs) play an important role in cardiovascular diseases. We investigated the association between plasma TFAs and the dietary inflammatory index (DII) ™ in US adults.

Methods: National Health and Nutrition Examination Survey (NHANES) participants with data on plasma TFAs measured from 1999 to 2010 were included. Energy-adjusted-DII ™ (E-DII ™) expressed per 1000 kcal was calculated from 24-h dietary recalls. All statistical analyses accounted for the survey design and sample weights.

Results: Of the 5446 eligible participants, 46.8% (n = 2550) were men. The mean age of the population was 47.1 …

An Ameliorated Prediction Of Drug–Target Interactions Based On Multi-Scale Discrete Wavelet Transform And Network Features, Cong Shen, Yijie Ding, Jijun Tang, Xinying Xu, Fei Guo

Faculty Publications

The prediction of drug–target interactions (DTIs) via computational technology plays a crucial role in reducing the experimental cost. A variety of state-of-the-art methods have been proposed to improve the accuracy of DTI predictions. In this paper, we propose a kind of drug–target interactions predictor adopting multi-scale discrete wavelet transform and network features (named as DAWN) in order to solve the DTIs prediction problem. We encode the drug molecule by a substructure fingerprint with a dictionary of substructure patterns. Simultaneously, we apply the discrete wavelet transform (DWT) to extract features from target sequences. Then, we concatenate and normalize the target, drug, …

An Ensemble Deep Convolutional Neural Network Model With Improved D-S Evidence Fusion For Bearing Fault Diagnosis, Shaobo Li, Guoka Liu, Xianghong Tang, Jianguang Lu, Jianjun Hu

Faculty Publications

Intelligent machine health monitoring and fault diagnosis are becoming increasingly important for modern manufacturing industries. Current fault diagnosis approaches mostly depend on expert-designed features for building prediction models. In this paper, we proposed IDSCNN, a novel bearing fault diagnosis algorithm based on ensemble deep convolutional neural networks and an improved Dempster–Shafer theory based evidence fusion. The convolutional neural networks take the root mean square (RMS) maps from the FFT (Fast Fourier Transformation) features of the vibration signals from two sensors as inputs. The improved D-S evidence theory is implemented via distance matrix from evidences and modified Gini Index. Extensive evaluations …

Rapid Reversible Borane To Boryl Hydride Exchange By Metal Shuttling On The Carborane Cluster Surface, Bennett J. Eleazer, Mark D. Smith, Alexey A. Popov, Dmitry V. Peryshkov

Faculty Publications

In this work, we introduce a novel concept of a borane group vicinal to a metal boryl bond acting as a supporting hemilabile ligand in exohedrally metalated three-dimensional carborane clusters. The (POBOP)Ru(Cl)(PPh3) pincer complex (POBOP ¼ 1,7-OP(i-Pr)2-m-2-carboranyl) features extreme distortion of the two-center-two-electron Ru–B bond due to the presence of a strong three-centertwo-electron B–H/Ru vicinal interaction. Replacement of the chloride ligand with a hydride afforded the (POBOP)Ru(H)(PPh3) pincer complex, which possesses B–Ru, B–H/Ru, and Ru–H bonds. This complex was found to exhibit a rapid exchange between hydrogen atoms of the borane and the terminal hydride through metal center shuttling between …

Strong Linkages Between Surface And Deep-Water Dissolved Organic Matter In The East/Japan Sea, Tae-Hoon Kim, Guebuem Kim, Yuan Shen, Ronald Benner

Faculty Publications

Vertical and horizontal distributions of total dissolved amino acids (TDAAs), dissolved organic carbon (DOC), and dissolved organic nitrogen (DON) were measured in the East/Japan Sea (EJS). The euphotic zone of this sea is N-limited, and the N : P ratio is ∼ 13 below 200 m depth. Elevated TDAA concentrations (137 ± 34 nM) and DOC-normalized yields (0.8 ± 0.2 % of DOC) were observed in deep waters ( ≥  1000 m) of the EJS and compared with those in the deep North Pacific Ocean. Significantly high TDAA concentrations and yields were observed in a region of deep-water formation, indicating …

Modeled Co2 Emissions From Coastal Wetland Transitions To Other Land Uses: Tidal Marshes, Mangrove Forests, And Seagrass Beds, Catherine E. Lovelock, James W. Fourqurean, James T. Morris

Faculty Publications

The sediments of coastal wetlands contain large stores of carbon which are vulnerable to oxidation once disturbed, resulting in high levels of CO2 emissions that may be avoided if coastal ecosystems are conserved or restored. We used a simple model to estimate CO2 emissions from mangrove forests, seagrass beds, and tidal marshes based on known decomposition rates for organic matter in these ecosystems under either oxic or anoxic conditions combined with assumptions of the proportion of sediment carbon being deposited in either oxic or anoxic environments following a disturbance of the habitat. Our model found that over 40 years after …

Pre-Pregnancy Body Mass Index Is Associated With Dietary Inflammatory Index And C-Reactive Protein Concentrations During Pregnancy, Dayeon Shin, Junguk Hur, Eun-Hee Cho, Hae-Kyung Chung, Nitin Shivappa, Michael D. Wirth, James R. Hébert, Kyung Won Lee

Faculty Publications

There have been a limited number of studies examining the association between pre-pregnancy body mass index (BMI) and dietary inflammation during pregnancy. Our aim is to examine the association between pre-pregnancy BMI and the Dietary Inflammatory Index (DII)™ and C-reactive protein (CRP) concentrations during pregnancy. The study included 631 pregnant American women from the National Health and Nutrition Examination Survey (NHANES) cross-sectional examinations from 2003 to 2012. Pre-pregnancy BMI was calculated based on self-reported pre-pregnancy weight and measured height. The cut-offs of <18.5 (underweight), 18.5–24.9 (normal), 25.0–29.9 (overweight), and ≥30 kg/m2 (obese) were used to categorize the weight status of pregnant women prior to pregnancy. The DII, a literature-based dietary index to assess the inflammatory properties of diet, was estimated based on a one-day 24-h recall. Multivariable linear and logistic regressions were performed to estimate beta coefficients and the adjusted odds ratios (AORs) and 95% confidence intervals (95% CIs) on the association of pre-pregnancy BMI categories with the DII and CRP concentrations during pregnancy. After controlling for variables including: race/ethnicity, family poverty income ratio, education, marital status, month in pregnancy, and smoking status during pregnancy; women who were obese before pregnancy (n = 136) had increased odds for being in the highest tertile of the DII and CRP concentrations compared to women with normal weight (AORs 2.40, 95% CIs 1.01–5.71; AORs 24.84, 95% CIs 6.19–99.67, respectively). These findings suggest that women with pre-pregnancy obesity had greater odds of reporting higher DII and having elevated CRP. In conclusion, high pre-pregnancy BMI was associated with increased odds of pro-inflammatory diet and elevated CRP levels during pregnancy in the USA.

Hierarchical Corannulene-Based Materials: Energy Transfer And Solid-State Photophysics, Allison M. Rice, W. Brett Fellows, Ekaterina A. Dolgopolova, Andrew B. Greytak, Aaron K. Vannucci, Mark D. Smith, Stavros G. Karakalos, Jeanette A. Krause, Stanislav M. Avdoshenko, Alexey A. Popov, Natalia B. Shustova Prof. Dr.

Faculty Publications

We report the first example of a donor–acceptor corannulene-containing hybrid material with rapid ligand-to-ligand energy transfer (ET). Additionally, we provide the first time-resolved photoluminescence (PL) data for any corannulene-based compounds in the solid state. Comprehensive analysis of PL data in combination with theoretical calculations of donor–acceptor exciton coupling was employed to estimate ET rate and efficiency in the prepared material. The ligand-to-ligand ET rate calculated using two models is comparable with that observed in fullerene-containing materials, which are generally considered for molecular electronics development. Thus, the presented studies not only demonstrate the possibility of merging the intrinsic properties of π-bowls, …

Neighborhood Environment And Falls Among Community-Dwelling Older Adults, Emily Joy Nicklett, Matthew C. Lohman Ph.D., Matthew Lee Smith

Faculty Publications

Background: Falls present a major challenge to active aging, but the relationship between neighborhood factors and falls is poorly understood. This study examined the relationship between fall events and neighborhood factors, including neighborhood social cohesion (sense of belonging, trust, friendliness, and helpfulness) and physical environment (vandalism/graffiti, rubbish, vacant/deserted houses, and perceived safety walking home at night). Methods: Data were analyzed from 9259 participants over four biennial waves (2006–2012) of the Health and Retirement Study (HRS), a nationally representative sample of adults aged 65 and older in the United States. Results: In models adjusting for demographic and health-related covariates, a one-unit …

Climate Warming Can Accelerate Carbon Fluxes Without Changing Soil Carbon Stocks, Susan E. Ziegler, Ronald Benner, Sharon A. Billings, Kate A. Edwards, Michael Philben, Xinbiao Zhu, Jerome Laganière

Faculty Publications

Climate warming enhances multiple ecosystem C fluxes, but the net impact of changing C fluxes on soil organic carbon (SOC) stocks over decadal to centennial time scales remains unclear. We investigated the effects of climate on C fluxes and soil C stocks using space-for-time substitution along a boreal forest climate gradient encompassing spatially replicated sites at each of three latitudes. All regions had similar SOC concentrations and stocks (5.6 to 6.7 kg C m−2). The three lowest latitude forests exhibited the highest productivity across the transect, with tree biomass:age ratios and litterfall rates 300 and 125% higher than those in …

Mineralizing Filamentous Bacteria From The Prony Bay Hydrothermal Field Give New Insights Into The Functioning Of Serpentinization-Based Subseafloor Ecosystems, Céline Pisapia, Emmanuelle Gérard, Martine Gérard, Léna Lecourt, Susan Q. Lang, Bernard Pelletier, Claude E. Payri, Christophe Monnin, Linda Guentas, Anne Postec, Marianne Quéméneur, Gaël Erauso, Bénédicte Ménez

Faculty Publications

Despite their potential importance as analogs of primitive microbial metabolisms, the knowledge of the structure and functioning of the deep ecosystems associated with serpentinizing environments is hampered by the lack of accessibility to relevant systems. These hyperalkaline environments are depleted in dissolved inorganic carbon (DIC), making the carbon sources and assimilation pathways in the associated ecosystems highly enigmatic. The Prony Bay Hydrothermal Field (PHF) is an active serpentinization site where, similar to Lost City (Mid-Atlantic Ridge), high-pH fluids rich in H2 and CH4 are discharged from carbonate chimneys at the seafloor, but in a shallower lagoonal environment. This study aimed …

Metagenomic Identification Of Active Methanogens And Methanotrophs In Serpentinite Springs Of The Voltri Massif, Italy, William J. Brazelton, Christopher N. Thornton, Alex Hyer, Katrina I. Twing, August A. Longino, Susan Q. Lang, Marvin D. Lilley, Gretchen L. Früh-Green, Matthew O. Schrenk

Faculty Publications

The production of hydrogen and methane by geochemical reactions associated with the serpentinization of ultramafic rocks can potentially support subsurface microbial ecosystems independent of the photosynthetic biosphere. Methanogenic and methanotrophic microorganisms are abundant in marine hydrothermal systems heavily influenced by serpentinization, but evidence for methane-cycling archaea and bacteria in continental serpentinite springs has been limited. This report provides metagenomic and experimental evidence for active methanogenesis and methanotrophy by microbial communities in serpentinite springs of the Voltri Massif, Italy. Methanogens belonging to family Methanobacteriaceae and methanotrophic bacteria belonging to family Methylococcaceae were heavily enriched in three ultrabasic springs (pH 12). Metagenomic …